* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    157    249     463
    1     0 S   NP   _N1_     1    28.44510    93.65790   -23.72112
    2     1 S   H    _HN1     2     1.02785   104.68421   -91.83560
    3     1 S   H    _H1_     3     1.02950    86.88847    16.33538
    4     1 S   H    _H2_     4     1.02828    23.25303   166.95698
    5     1 S   CT   _CA1     5     1.50104   130.46622   130.71374
    6     5 S   HC   _HA1     6     1.09572   105.21002    73.68803
    7     5 S   CO3  _C1_     7     1.53791   112.45926   -46.58034
    8     7 S   O2Z  _O11     8     1.26371   115.01169   -42.77594
    9     7 S   O2Z  _O12     9     1.26238   114.94546   136.40947
   10     5 S   CT   _CB1    10     1.53083   107.42809  -168.30988
   11    10 S   HC   HB11    11     1.09832   109.39818   -49.70157
   12    10 S   HC   HB12    12     1.09814   110.43389    66.90871
   13    10 S   CT   _CG1    13     1.52989   112.60084  -170.68133
   14    13 S   HC   HG11    14     1.09584   110.62385   -65.06591
   15    13 S   HC   HG12    15     1.09668   109.80602    54.17098
   16    13 S   C    _CD1    16     1.51791   112.23882   174.64379
   17    16 S   O    _OE1    17     1.22726   123.30522     6.15976
   18    16 S   N    _N2_    18     1.38650   111.66248  -174.00760
   19    18 S   H    _HN2    19     1.01591   118.93911     1.87534
   20    18 S   CT1  _CA2    20     1.46191   123.36489   177.84124
   21    20 S   HC   _HA2    21     1.09733   109.42076     1.53212
   22    20 S   C    _C2_    22     1.53541   108.65221  -114.03193
   23    22 S   O    _O2_    23     1.23059   122.23997  -148.45735
   24    20 S   CT   _CB2    32     1.53435   111.47719   123.62885
   25    24 S   HC   HB21    33     1.09324   109.44975    57.19462
   26    24 S   HC   HB22    34     1.09471   109.65592   175.74679
   27    22 S   N    _N3_    24     1.38304   113.71735    38.97881
   28    27 S   H    _HN3    25     1.01594   119.59310    -3.29693
   29    24 S   S    _SG2    35     1.83015   111.19143   -65.25035
   30    27 S   CT   _CA3    26     1.45294   123.21161   177.16027
   31    30 S   HC   HA31    27     1.09549   107.51255   -64.62165
   32    30 S   HC   HA32    28     1.09557   107.98497    51.82107
   33    29 S   CT   _C16    36     1.87506   102.81700   163.10474
   34    30 S   CO3  _C3_    29     1.52960   114.06695   173.82308
   35    34 S   O2Z  _O31    30     1.26376   116.05430    -0.43969
   36    34 S   O2Z  _O32    31     1.26426   114.41980   179.61437
   37    33 S   CT   _C15    37     1.53525   109.80288   -69.16510
   38    37 S   HC   _H9_    38     1.09359   112.56841    55.04295
   39    37 S   HC   _H10    39     1.09570   111.87435   -64.90762
   40    33 S   CT   _C17    76     1.55785   110.06992    51.69751
   41    40 S   HC   _H3_    77     1.09456   110.46298   -55.05065
   42    33 S   OS   _O39    82     1.44464   108.73122   167.57652
   43    37 S   CO4  _C14    40     1.52096   110.83640   174.48580
   44    43 S   O    _O35    41     1.23308   119.37504   127.94633
   45    40 S   OH   _O38    78     1.43436   109.92672    62.48913
   46    45 S   HO   _H12    79     0.97303   107.31649   -46.23218
   47    42 S   CT   _C20    83     1.41937   117.87225    73.44091
   48    47 S   HC   _H13    84     1.09383   107.82045  -168.11161
   49    47 S   HC   _H14    85     1.09294   110.66716    74.61435
   50    47 S   HC   _H15    86     1.09278   112.24209   -49.15552
   51    43 S   CT   _C13    42     1.54068   116.02717   -55.56924
   52    51 S   OM   _O40    43     1.32180   109.46456   177.08684
   53    51 S   CO4  _C12    44     1.53400   111.33705   -68.58172
   54    53 S   O    _O34    45     1.23094   121.69314   -21.12564
   55    53 S   CA   _C10    46     1.49752   119.12051   159.36485
   56    55 S   CA   _C9_    47     1.39109   119.44807   -11.71731
   57    55 S   CA   _C11    57     1.41514   121.71156   167.88205
   58    56 S   CA   _C8_    48     1.39672   119.83482   179.45249
   59    58 S   HA   _H7_    49     1.09014   119.26136   179.48262
   60    57 S   OH   _O33    58     1.37573   119.77162     1.38593
   61    60 S   HO   _H8_    59     0.97294   109.91710    -0.50976
   62    56 S   CO4  _C19    73     1.48324   121.91653    -1.41900
   63    62 S   O    _O36    74     1.22925   119.77227   168.03244
   64    58 S   CA   _C7_    50     1.40231   121.62772     0.11869
   65    51 S   CT   _C18    75     1.54518   108.95215    53.94543
   66    64 S   CA   _C21    51     1.40035   117.95898   179.24775
   67    66 S   HA   _H16    52     1.08957   120.29193     0.04423
   68    65 S   OH   _O37    80     1.43309   110.51408    69.09002
   69    68 S   HO   _H11    81     0.97353   107.02168  -172.50627
   70    66 S   CA   _C22    53     1.38710   121.14737  -179.27503
   71    70 S   CA   _C23    54     1.39386   119.93417    -0.72685
   72    70 S   OH   _O43    71     1.36827   116.36810   178.78937
   73    72 S   HO   _H20    72     0.97164   109.79505   173.21173
   74    71 S   CA   _C5_    55     1.41699   120.59734    -0.70582
   75    71 S   CO4  _C24    64     1.47464   118.73700   176.72350
   76    75 S   O    _O41    65     1.21850   123.94836  -114.61998
   77    64 S   CA   _C6_    56     1.42016   121.01784    -0.53814
   78    74 S   CT   _C4_    60     1.51391   119.36839  -177.14343
   79    78 S   HC   _H4_    61     1.09434   110.24123  -111.13929
   80    78 S   HC   _H5_    62     1.09288   113.46275     9.33372
   81    78 S   HC   _H6_    63     1.09479   110.30645   126.42730
   82    75 S   OS   _O42    66     1.35619   107.85989    65.64980
   83    82 S   CT   _C25    67     1.43054   114.91636   179.19643
   84    83 S   HC   _H17    68     1.09325   108.11353  -179.49526
   85    83 S   HC   _H18    69     1.09425   110.24897    61.80857
   86    83 S   HC   _H19    70     1.09429   110.30746   -60.76257
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  18   2   1   1  13   6   5  15   7   7   9   4   5   1   3   2
   1   1  11   6  10   4  12  11  10  10   4   4   1   5   2   8
   2   8   4   1   1   9  12   3   1   8   8   2   4   3   2   1
   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    65    40    41    45    42    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    51    62    65    40    41    45    46    68    42    47    48    49    50  
   35    36  
   36  
    0  
   38    39    43    44    51    52    53    65    40    41    45    42    47  
   39    43    44    51    40    42  
   43    44    51    40    42  
   41    45    46    68    69    42    47    43    51    52    53    56    62    63    65  
   45    46    68    42    51    62    65  
   47    48    49    50    43    45    65  
   44    51    52    53    54    55    62    65    68  
   51    52    53    65  
   46    68    51    62    65  
   65  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    57    62    63    65    68    69  
   53    54    55    62    65    68  
   54    55    56    58    77    57    60    62    65    68  
   55    56    57    65  
   56    58    59    64    74    77    57    60    61    62    63    65  
   58    59    64    66    77    57    60    62    63    65    68  
   60    61    78    62    58    64    66    71    74    77  
   59    64    66    67    70    74    77    62    63    65  
   64    66    77    62  
   61    64    74    77  
   77  
   63    65    68    69    64  
   65    68  
   66    67    70    71    74    77    78    72  
   68    69  
   67    70    71    74    77    75    72    73  
   70    71    77    72  
   69  
    0  
   71    74    77    78    75    76    82    72    73  
   74    77    78    79    80    81    75    76    82    83    72    73  
   73    74    75  
    0  
   77    78    79    80    81    75    76    82  
   76    82    83    84    85    86    77    78  
   82    83  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   83   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    51   317.000  1.522
   51    52   570.000  1.307
   51    53   317.000  1.522
   51    65   268.000  1.529
   53    54   570.000  1.229
   53    55   310.000  1.470
   55    56   469.000  1.400
   55    57   469.000  1.400
   56    58   469.000  1.400
   56    62   310.000  1.470
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    66   469.000  1.400
   64    77   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   469.000  1.400
   70    72   450.000  1.364
   71    74   469.000  1.400
   71    75   310.000  1.470
   74    77   469.000  1.400
   74    78   317.000  1.510
   77    57   469.000  1.400
   57    60   450.000  1.364
   60    61   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   75    76   570.000  1.229
   75    82   214.000  1.327
   82    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   72    73   553.000  0.945
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    40   268.000  1.529
   65    68   320.000  1.410
   40    41   340.000  1.090
   40    45   320.000  1.410
   45    46   553.000  0.945
   68    69   553.000  0.945
   42    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    40    65    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    45    50.00000  109.50000
   33    42    47    60.00000  109.50000
   37    43    44    80.00000  120.40000
   37    43    51    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    51    52    90.00000  108.74100
   43    51    53    75.00000  107.99600
   43    51    65    63.00000  111.10000
   51    43    44    80.00000  120.40000
   51    53    54    80.00000  120.40000
   51    53    55    65.00000  115.47100
   51    65    62    63.00000  111.10000
   51    65    40    58.35000  112.70000
   51    65    68    50.00000  109.50000
   53    51    52    90.00000  108.74100
   53    55    56    60.00000  119.52600
   53    55    57    60.00000  119.52600
   55    53    54    75.00000  123.78400
   55    56    58    63.00000  120.00000
   55    56    62    60.00000  119.52600
   55    57    77    63.00000  120.00000
   55    57    60    70.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    64    63.00000  120.00000
   56    62    63    75.00000  123.78400
   56    62    65    65.00000  115.47100
   58    64    66    63.00000  120.00000
   58    64    77    63.00000  120.00000
   64    58    59    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    70    63.00000  120.00000
   64    77    74    63.00000  120.00000
   64    77    57    63.00000  120.00000
   66    70    71    63.00000  120.00000
   66    70    72    70.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    74    63.00000  120.00000
   70    71    75    60.00000  119.52600
   70    72    73    35.00000  113.00000
   71    74    77    63.00000  120.00000
   71    74    78    70.00000  120.00000
   71    75    76    75.00000  123.78400
   71    75    82    81.00000  111.40000
   74    77    57    63.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    64    66    63.00000  120.00000
   77    57    60    70.00000  120.00000
   57    55    56    63.00000  120.00000
   57    60    61    35.00000  113.00000
   78    74    77    70.00000  120.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   75    71    74    60.00000  119.52600
   75    82    83    83.00000  116.90000
   82    75    76    83.00000  123.40000
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   72    70    71    70.00000  120.00000
   62    56    58    60.00000  119.52600
   62    65    40    63.00000  111.10000
   62    65    68    90.00000  109.61100
   65    51    52    50.00000  109.50000
   65    51    53    63.00000  111.10000
   65    62    63    80.00000  120.40000
   65    40    41    37.50000  110.70000
   65    40    45    50.00000  109.50000
   65    68    69    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    45    46    55.00000  108.50000
   45    40    41    35.00000  109.50000
   68    65    40    50.00000  109.50000
   42    33    37    50.00000  109.50000
   42    33    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   29    33    42    47   0.14700  1.0 1.0
   29    33    42    47  -1.16150 -1.0 2.0
   29    33    42    47   0.48700  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    51   0.60050  1.0 1.0
   33    37    43    51   0.05600 -1.0 2.0
   33    37    43    51   0.26150  1.0 3.0
   33    40    45    46  -0.11600  1.0 1.0
   33    40    45    46  -0.09450 -1.0 2.0
   33    40    45    46   0.21250  1.0 3.0
   33    42    47    48   0.37050  1.0 3.0
   33    42    47    49   0.37050  1.0 3.0
   33    42    47    50   0.37050  1.0 3.0
   37    33    40    65   0.56750  1.0 1.0
   37    33    40    65  -0.07550 -1.0 2.0
   37    33    40    65   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    45   0.86500  1.0 1.0
   37    33    40    45  -0.17500 -1.0 2.0
   37    33    40    45   0.20800  1.0 3.0
   37    33    42    47   0.06250  1.0 1.0
   37    33    42    47  -0.01100 -1.0 2.0
   37    33    42    47   0.28050  1.0 3.0
   37    43    51    52   0.55300  1.0 1.0
   37    43    51    52   1.25850 -1.0 2.0
   37    43    51    52  -0.23600  1.0 3.0
   37    43    51    53   0.65300  1.0 1.0
   37    43    51    53  -0.03850 -1.0 2.0
   37    43    51    53   0.33900  1.0 3.0
   37    43   -51    65   0.60050  1.0 1.0
   37    43   -51    65   0.05600 -1.0 2.0
   37    43   -51    65   0.26150  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    51   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    51   0.00000  1.0 1.0
   43    51    53    54   0.30150 -1.0 2.0
   43    51    53    55   0.65300  1.0 1.0
   43    51    53    55  -0.03850 -1.0 2.0
   43    51    53    55   0.33900  1.0 3.0
   43    51    65    62   0.11950  1.0 1.0
   43    51    65    62   0.20300 -1.0 2.0
   43    51    65    62  -0.70800  1.0 3.0
   43    51    65    40  -0.95700  1.0 1.0
   43    51    65    40  -0.18200 -1.0 2.0
   43    51    65    40   0.29450  1.0 3.0
   43    51    65    68  -0.09450  1.0 1.0
   43    51    65    68  -1.12950 -1.0 2.0
   43    51    65    68   0.54000  1.0 3.0
   44    43    51    52   0.30150 -1.0 2.0
   44    43    51    53   0.30150 -1.0 2.0
   44    43    51    65   0.30150 -1.0 2.0
   51    53    55    56   2.26350  1.0 1.0
   51    53    55    56   0.76750 -1.0 2.0
   51    53    55    56   0.22500  1.0 3.0
   51    53    55    57   2.26350  1.0 1.0
   51    53    55    57   0.76750 -1.0 2.0
   51    53    55    57   0.22500  1.0 3.0
   51    65   -40    33   0.56750  1.0 1.0
   51    65   -40    33  -0.07550 -1.0 2.0
   51    65   -40    33   0.20000  1.0 3.0
   51    65    40    41   0.15000  1.0 3.0
   51    65    40    45   0.86500  1.0 1.0
   51    65    40    45  -0.17500 -1.0 2.0
   51    65    40    45   0.20800  1.0 3.0
   51    65    68    69  -0.11600  1.0 1.0
   51    65    68    69  -0.09450 -1.0 2.0
   51    65    68    69   0.21250  1.0 3.0
   52    51    53    54   0.30150 -1.0 2.0
   52    51    53    55   0.65300  1.0 1.0
   52    51    53    55  -0.03850 -1.0 2.0
   52    51    53    55   0.33900  1.0 3.0
   52    51    65    62  -0.09450  1.0 1.0
   52    51    65    62  -1.12950 -1.0 2.0
   52    51    65    62   0.54000  1.0 3.0
   52    51    65    40   0.62750  1.0 1.0
   52    51    65    40  -0.30950 -1.0 2.0
   52    51    65    40   0.27300  1.0 3.0
   52    51    65    68   3.69350  1.0 1.0
   52    51    65    68  -1.82950 -1.0 2.0
   53    51    65    62   0.11950  1.0 1.0
   53    51    65    62   0.20300 -1.0 2.0
   53    51    65    62  -0.70800  1.0 3.0
   53    51    65    40  -0.95700  1.0 1.0
   53    51    65    40  -0.18200 -1.0 2.0
   53    51    65    40   0.29450  1.0 3.0
   53    51    65    68  -0.09450  1.0 1.0
   53    51    65    68  -1.12950 -1.0 2.0
   53    51    65    68   0.54000  1.0 3.0
   53    55    56    58   3.62500 -1.0 2.0
   53    55   -56    62   3.62500 -1.0 2.0
   53    55    57    77   3.62500 -1.0 2.0
   53    55    57    60   3.62500 -1.0 2.0
   54    53    55    56   1.05000 -1.0 2.0
   54    53    55    57   1.05000 -1.0 2.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    64   3.62500 -1.0 2.0
   55    56    62    63   1.05000 -1.0 2.0
   55    56    62    65   2.26350  1.0 1.0
   55    56    62    65   0.76750 -1.0 2.0
   55    56    62    65   0.22500  1.0 3.0
   55    57    60    61   0.84100 -1.0 2.0
   56    55    57    77   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   56    58    64    66   3.62500 -1.0 2.0
   56    58   -64    77   3.62500 -1.0 2.0
   56    62   -65    51   0.05850 -1.0 2.0
   56    62   -65    51   0.17250  1.0 3.0
   56    62    65    40   0.05850 -1.0 2.0
   56    62    65    40   0.17250  1.0 3.0
   56    62    65    68   0.65300  1.0 1.0
   56    62    65    68  -0.03850 -1.0 2.0
   56    62    65    68   0.33900  1.0 3.0
   58    56    62    63   1.05000 -1.0 2.0
   58    56    62    65   2.26350  1.0 1.0
   58    56    62    65   0.76750 -1.0 2.0
   58    56    62    65   0.22500  1.0 3.0
   58    64    66    67   3.62500 -1.0 2.0
   58    64    66    70   3.62500 -1.0 2.0
   58    64    77    74   3.62500 -1.0 2.0
   58    64    77    57   3.62500 -1.0 2.0
   59    58    64    66   3.62500 -1.0 2.0
   59    58    64    77   3.62500 -1.0 2.0
   64    66    70    71   3.62500 -1.0 2.0
   64    66    70    72   3.62500 -1.0 2.0
   64    77   -57    55   3.62500 -1.0 2.0
   64    77    57    60   3.62500 -1.0 2.0
   66    64    77    74   3.62500 -1.0 2.0
   66    64    77    57   3.62500 -1.0 2.0
   66    70   -71    74   3.62500 -1.0 2.0
   66    70    71    75   3.62500 -1.0 2.0
   66    70    72    73   0.84100 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    72   3.62500 -1.0 2.0
   70    71    74    77   3.62500 -1.0 2.0
   70    71    74    78   3.62500 -1.0 2.0
   70    71    75    76   1.05000 -1.0 2.0
   70    71    75    82   0.98750 -1.0 2.0
   71    70    72    73   0.84100 -1.0 2.0
   71    74   -77    64   3.62500 -1.0 2.0
   71    74    77    57   3.62500 -1.0 2.0
   71    74    78    79   0.00000  1.0 1.0
   71    74    78    80   0.00000  1.0 1.0
   71    74    78    81   0.00000  1.0 1.0
   71    75    82    83   0.59950  1.0 1.0
   71    75    82    83   3.24850 -1.0 2.0
   74    71    75    76   1.05000 -1.0 2.0
   74    71    75    82   0.98750 -1.0 2.0
   74    77    57    55   3.62500 -1.0 2.0
   74    77    57    60   3.62500 -1.0 2.0
   77    64    66    67   3.62500 -1.0 2.0
   77    64   -66    70   3.62500 -1.0 2.0
   77    74    78    79   0.00000  1.0 1.0
   77    74    78    80   0.00000  1.0 1.0
   77    74    78    81   0.00000  1.0 1.0
   77    57    60    61   0.84100 -1.0 2.0
   57    55   -56    58   3.62500 -1.0 2.0
   57    55    56    62   3.62500 -1.0 2.0
   78    74    77    64   3.62500 -1.0 2.0
   78    74    77    57   3.62500 -1.0 2.0
   75    71    74    77   3.62500 -1.0 2.0
   75    71    74    78   3.62500 -1.0 2.0
   75    82    83    84   0.08050  1.0 3.0
   75    82    83    85   0.08050  1.0 3.0
   75    82    83    86   0.08050  1.0 3.0
   76    75    82    83   3.00000 -1.0 2.0
   72    70    71    74   3.62500 -1.0 2.0
   72    70    71    75   3.62500 -1.0 2.0
   62    56    58    59   3.62500 -1.0 2.0
   62    56    58    64   3.62500 -1.0 2.0
   62    65    40    33  -0.95700  1.0 1.0
   62    65    40    33  -0.18200 -1.0 2.0
   62    65    40    33   0.29450  1.0 3.0
   62    65    40    41  -0.11250  1.0 3.0
   62    65    40    45  -0.09450  1.0 1.0
   62    65    40    45  -1.12950 -1.0 2.0
   62    65    40    45   0.54000  1.0 3.0
   62    65    68    69   0.91850  1.0 1.0
   62    65    68    69   0.57950  1.0 3.0
   63    62    65    51   0.30150 -1.0 2.0
   63    62    65    40   0.30150 -1.0 2.0
   63    62    65    68   0.30150 -1.0 2.0
   65    51    53    54   0.30150 -1.0 2.0
   65    51   -53    55   0.05850 -1.0 2.0
   65    51   -53    55   0.17250  1.0 3.0
   65    40    45    46  -0.11600  1.0 1.0
   65    40    45    46  -0.09450 -1.0 2.0
   65    40    45    46   0.21250  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    43  -0.95700  1.0 1.0
   40    33   -37    43  -0.18200 -1.0 2.0
   40    33   -37    43   0.29450  1.0 3.0
   40    33    42    47   0.06250  1.0 1.0
   40    33    42    47  -0.01100 -1.0 2.0
   40    33    42    47   0.28050  1.0 3.0
   40    65    68    69  -0.11600  1.0 1.0
   40    65    68    69  -0.09450 -1.0 2.0
   40    65    68    69   0.21250  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   68    65    40    33   0.86500  1.0 1.0
   68    65    40    33  -0.17500 -1.0 2.0
   68    65    40    33   0.20800  1.0 3.0
   68    65    40    41   0.23400  1.0 3.0
   68    65    40    45   3.75450  1.0 1.0
   42    33    37    38   0.23400  1.0 3.0
   42    33    37    39   0.23400  1.0 3.0
   42    33    37    43  -0.09450  1.0 1.0
   42    33    37    43  -1.12950 -1.0 2.0
   42    33    37    43   0.54000  1.0 3.0
   42    33    40    65   0.62750  1.0 1.0
   42    33    40    65  -0.30950 -1.0 2.0
   42    33    40    65   0.27300  1.0 3.0
   42    33    40    41   0.23400  1.0 3.0
   42    33    40    45   3.69350  1.0 1.0
   42    33    40    45  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    51    43    44  10.50000 -1.0 2.0
   51    55    53    54  10.50000 -1.0 2.0
   56    57    55    53   4.00000 -1.0 2.0
   58    62    56    55   4.00000 -1.0 2.0
   64    59    58    56   1.10000 -1.0 2.0
   66    77    64    58   4.00000 -1.0 2.0
   70    67    66    64   1.10000 -1.0 2.0
   71    72    70    66   4.00000 -1.0 2.0
   74    75    71    70   4.00000 -1.0 2.0
   77    78    74    71   4.00000 -1.0 2.0
   74    57    77    64   4.00000 -1.0 2.0
   77    60    57    55   4.00000 -1.0 2.0
   71    82    75    76  10.50000 -1.0 2.0
   56    65    62    63  10.50000 -1.0 2.0
END
